3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one

C16H24N2OS — CID 83242357

IUPAC3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2cccs2)N(C2CCCCC2)C1=O
InChIInChI=1S/C16H24N2OS/c1-11(2)14-16(19)18(12-7-4-3-5-8-12)15(17-14)13-9-6-10-20-13/h6,9-12,14-15,17H,3-5,7-8H2,1-2H3
InChIKeyBMGGQSWSTDAHAH-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.54
Rot. Bonds3

About 3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one

3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83242357) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83242357
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2cccs2)N(C2CCCCC2)C1=O
InChIInChI=1S/C16H24N2OS/c1-11(2)14-16(19)18(12-7-4-3-5-8-12)15(17-14)13-9-6-10-20-13/h6,9-12,14-15,17H,3-5,7-8H2,1-2H3
InChIKeyBMGGQSWSTDAHAH-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one (CID 83242357) is 3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one is CC(C)C1NC(c2cccs2)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is BMGGQSWSTDAHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11(2)14-16(19)18(12-7-4-3-5-8-12)15(17-14)13-9-6-10-20-13/h6,9-12,14-15,17H,3-5,7-8H2,1-2H3.
What are the key properties of 3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 292.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83242357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).